{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Al" "Al" "Al" "Al" ] } "a" { "source-value" [ 6.06791 5.661337 5.409359 5.226284 5.082409 4.963872 4.863071 4.775383 4.697785 4.628194 4.565109 4.507419 4.454272 4.405006 4.359091 4.3161 4.275684 4.237551 4.201457 4.167196 4.134589 4.103484 4.07375 4.04527 4.025882 4.005476 3.983941 3.961144 3.936927 3.911103 3.883441 3.853662 3.821413 3.786247 3.747584 3.704651 3.656385 3.601273 3.537046 3.460077 3.364031 3.23622 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.06791e-10 5.661337e-10 5.409359e-10 5.226284e-10 5.082409000000001e-10 4.963872e-10 4.863071e-10 4.775383e-10 4.697784999999999e-10 4.628194e-10 4.565109e-10 4.5074189999999997e-10 4.4542719999999997e-10 4.405006e-10 4.359091e-10 4.3160999999999997e-10 4.275684e-10 4.237551e-10 4.2014570000000007e-10 4.1671959999999996e-10 4.134589e-10 4.103484e-10 4.0737500000000005e-10 4.045270000000001e-10 4.0258820000000005e-10 4.005476e-10 3.983941e-10 3.961144e-10 3.936927e-10 3.9111030000000005e-10 3.883441e-10 3.853662e-10 3.8214130000000004e-10 3.786247e-10 3.747584e-10 3.704651e-10 3.6563850000000003e-10 3.601273e-10 3.5370460000000005e-10 3.460077e-10 3.3640310000000005e-10 3.23622e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "cohesive-potential-energy" { "source-value" [ 1.42623 1.83184 2.10084 2.31065 2.4799 2.61129 2.71547 2.80167 2.87527 2.94074 3.00157 3.06016 3.11743 3.17219 3.2226 3.26726 3.30541 3.33685 3.36181 3.3808 3.39451 3.40368 3.40894 3.41066 3.4098 3.40692 3.40137 3.39228 3.37839 3.35793 3.32867 3.28846 3.23645 3.17501 3.11153 3.04724 2.86711 1.60098 -7.43247 -72.2226 -610.138 -6987.03 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.285072361883584e-19 2.934931221046272e-19 3.365916732041472e-19 3.70206940885152e-19 3.9732378019219207e-19 4.183747788128832e-19 4.350662548483776e-19 4.488770173196737e-19 4.606690372487616e-19 4.711584875851392e-19 4.809045279694656e-19 4.902916807907328e-19 4.994673462980545e-19 5.082408654735553e-19 5.16317437819008e-19 5.234727586075008e-19 5.295850624158529e-19 5.346223057116481e-19 5.386213385571649e-19 5.41663871960064e-19 5.438604561071808e-19 5.453296520684544e-19 5.461723969709952e-19 5.464479713497728e-19 5.463101841603841e-19 5.458487572935937e-19 5.449595492690496e-19 5.435031707207424e-19 5.412777473944512e-19 5.379996940282944e-19 5.333117252358336e-19 5.268693730435968e-19 5.18536452438816e-19 5.086926792806208e-19 4.985220620917825e-19 4.882216685966592e-19 4.593616611261888e-19 2.5650527263683845e-19 -1.1908129668797377e-18 -1.1571336121339009e-17 -9.775488390616705e-17 -1.1194456114828225e-15 ] } }